SCHEMBL17801568

SCHEMBL17801568

Cc1ccc(CN(Cc2ccc(C)o2)C(=O)CCCC(N)=O)o1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.56
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
THRB P10828 1/20 0.38
PKM P14618 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30274855 0.75 ALOX5 (0.54) ALOX5MAPTALDH1A1POLBKMT2A
SCHEMBL17801532 0.74 ALOX5 (0.55) ALOX5MAPTALDH1A1TP53POLB
SCHEMBL8809759 0.72 ALOX5 (1.00) ALOX5POLBTHRBPKM
SCHEMBL7976747 0.67 ALOX5 (0.53) ALOX5MAPTALDH1A1POLBKMT2A
SCHEMBL17801567 0.67 ALOX5 (0.45) ALOX5MAPTALDH1A1POLBKMT2A
SCHEMBL2939974 0.66 ALOX5 (0.58) ALOX5MAPTALDH1A1LMNATSHR
SCHEMBL4094591 0.66 ALOX5 (0.48) ALOX5MAPTALDH1A1TP53POLB
SCHEMBL4079955 0.65 ALOX5 (0.47) ALOX5MAPTALDH1A1TP53POLB
SCHEMBL19712892 0.65 ALDH1A1 (0.55) MAPTALDH1A1LMNAKMT2APKM
SCHEMBL2294523 0.65 LMNA (0.81) ALDH1A1TP53LMNAKMT2AHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200108146-A1 Nucleophile-Triggered Degradable Materials and Methods of Making and Using the Same NATIONAL SCIENCE FOUNDATION 2020-04-09 US disclosed
US-20170360940-A1 NUCLEOPHILE-TRIGGERED DEGRADABLE MATERIALS AND METHODS OF MAKING AND USING THE SAME NATIONAL SCIENCE FOUNDATION 2017-12-21 US disclosed
WO-2016090060-A1 NUCLEOPHILE-TRIGGERED DEGRADBLE MATERIALS AND METHODS OF MAKING AND USING THE SAME GEORGIA TECH RESEARCH CORPORATION (US) 2016-06-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170360940-A1 NUCLEOPHILE-TRIGGERED DEGRADABLE MATERIALS AND METHODS OF MAKING AND USING THE SAME OGG1, MRE11, DNA2 ALOX5 1036/4885MAPT 4138/4885ALDH1A1 1711/4885
US-20200108146-A1 Nucleophile-Triggered Degradable Materials and Methods of Making and Using the Same MRE11, ENDOD1, DNASE1 ALOX5 1214/4885MAPT 4136/4885ALDH1A1 2338/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.